Account ((2-(N-((4-Amino-2-methylpyrimidin-5-yl)methyl)formamido)-5-hydroxypent-2-en-3-yl)thio)methyl benzoate
- Catalog No. :
- ACCMUG857
- CAS No. :
- 18481-26-0
- Molecular Formula :
- C20H24N4O4S
- Molecular Weight :
- 416.50
IUPAC Name:(E)-((2-(N-((4-amino-2-methylpyrimidin-5-yl)methyl)formamido)-5-hydroxypent-2-en-3-yl)thio)methyl benzoate
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Product Information
| Product Name | ((2-(N-((4-Amino-2-methylpyrimidin-5-yl)methyl)formamido)-5-hydroxypent-2-en-3-yl)thio)methyl benzoate |
|---|---|
| IUPAC Name | (E)-((2-(N-((4-amino-2-methylpyrimidin-5-yl)methyl)formamido)-5-hydroxypent-2-en-3-yl)thio)methyl benzoate |
| Molecular Formula | C20H24N4O4S |
| Molecular Weight | 416.50 |
| SMILES | C/C(=C(/CCO)SCOC(=O)C1=CC=CC=C1)N(C=O)CC1=CN=C(C)N=C1N |
| InChI Key | KZZQSQPXTWSHLI-NBVRZTHBSA-N |
| Synonym | 4-[(4-amino-2-methyl-5-pyrimidinylmethyl)(formyl)amino]-3-(2-hydroxyethyl)-2-thiapent-3-enyl benzoate;benzoyloxymethylthiamine;BT-851;N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[2-[[[(benzoyl)oxy]methyl]thio]-4-hydroxy-1-methyl-1-butenyl]formamide;4-((4-Amino-2-methyl-5-pyrimidinylmethyl)(formyl)amino)-3-(2-hydroxyethyl)-2-thiapent-3-enyl benzoate;Einecs 242-371-3;Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[2-[[(benzoyloxy)methyl]thio]-4-hydroxy-1-methyl-1-buten-1-yl]- |
| CAS No. | 18481-26-0 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACCMUG857 Molecular Building Block Synthetic Route
Bisbentiamine
N-((4-Amino-2-methylpyrimidin-5-yl)methyl)-N-(1-(2-oxo-1,3-oxathian-4-ylidene)ethyl)formamide
4-(N-((4-Amino-2-methylpyrimidin-5-yl)methyl)formamido)-3-(benzoylthio)pent-3-en-1-yl benzoate